SCHEMBL29978832

SCHEMBL29978832

Fc1cccc(C#CBr)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.50
▸ CA12 O43570 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ CA1 P00915 2/20 0.50
▸ SLC6A2 P23975 1/20 0.42
▸ ACHE P22303 1/20 0.39
▸ HAO1 Q9UJM8 2/20 0.38
▸ NFE2L2 Q16236 1/20 0.38
▸ GFER P55789 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25490046 1.00 GRM5 (0.50) GRM5CA12CA2CA9CA1
SCHEMBL9302636 0.85 CA12 (0.62) GRM5CA12CA2CA9CA1
SCHEMBL31286312 0.85 CA12 (0.62) GRM5CA12CA2CA9CA1
SCHEMBL718613 0.84 CA12 (0.52) GRM5CA12CA2CA9CA1
SCHEMBL30559799 0.83 APP (0.38) GRM5CA12CA2CA9CA1
SCHEMBL717450 0.79 CA12 (0.59) GRM5CA12CA2CA9CA1
SCHEMBL848355 0.77 CA12 (0.50) GRM5CA12CA2CA9CA1
SCHEMBL935880 0.77 CA12 (0.50) GRM5CA12CA2CA9CA1
SCHEMBL9304700 0.77 CA12 (0.62) GRM5CA12CA2CA9CA1
SCHEMBL15540865 0.77 CA12 (0.50) GRM5CA12CA2CA9CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063444-A Azetidinamide derivatives and uses thereof 广东东阳光药业股份有限公司 2024-05-24 — — CN disclosed
CN-111072604-B Alpha-aminoamide derivatives and use thereof 广东东阳光药业有限公司 2022-11-04 — — CN disclosed
Send feedback